3-(2-bromanylphenoxy)-9-cyclopropyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one

Systemtic Name: 3-(2-bromanylphenoxy)-9-cyclopropyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 3-(2-bromophenoxy)-9-cyclopropyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 3-(2-bromophenoxy)-9-cyclopropyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 3-(2-bromophenoxy)-9-cyclopropyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 3-(2-bromophenoxy)-9-cyclopropyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C20H17BrNO4+ MolecularWeight: 415.25728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+]2CC3=C(C=CC4=C3OC=C(C4=O)OC5=CC=CC=C5Br)OC2

Isomeric SMILES

C1CC1[NH+]2CC3=C(C=CC4=C3OC=C(C4=O)OC5=CC=CC=C5Br)OC2

InChI

InChI=1S/C20H16BrNO4/c21-15-3-1-2-4-17(15)26-18-10-24-20-13(19(18)23)7-8-16-14(20)9-22(11-25-16)12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2/p+1